Crystallography Open Database

Information card for entry 7026522

Preview

Coordinates	7026522.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	trans-Dichlorotetrakis(methyldiphenylphosphine) tungsten(II) toluene solvate
Formula	C59 H60 Cl2 P4 W
Calculated formula	C59 H60 Cl2 P4 W
SMILES	[W](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)C)([P](c1ccccc1)(c1ccccc1)C)([P](c1ccccc1)(c1ccccc1)C)[P](c1ccccc1)(c1ccccc1)C.c1(ccccc1)C
Title of publication	A tungsten-mediated closed cycle of reactivity for the reduction of CO(2) to CO.
Authors of publication	Jayarathne, Upul; Chandrasekaran, Perumalreddy; Jacobsen, Heiko; Mague, Joel T.; Donahue, James P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	40
Pages of publication	9662 - 9671
a	11.4069 ± 0.0008 Å
b	14.3468 ± 0.0009 Å
c	17.0921 ± 0.0011 Å
α	76.523 ± 0.001°
β	71.996 ± 0.001°
γ	84.321 ± 0.001°
Cell volume	2585.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.021
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.0466
Weighted residual factors for all reflections included in the refinement	0.0474
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179971 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/65.	7026522.cif
93523	2014-01-13	cif/ Adding structures of 7026522, 7026523, 7026524, 7026525, 7026526, 7026527, 7026528, 7026529, 7026530, 7026531, 7026532, 7026533 via cif-deposit CGI script.	7026522.cif